Products for Research Use Only
RegisterLogin

Kadsurenone

CAT: 0013-GTR19260405-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19260405-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Kadsurenone
CAS Number
95851-37-9
Purity
>98% (HPLC)
Molecular Formula
C21H24O5
Molecular Weight
356.41
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Kadsurenone

Kadsurenone is a member of benzofurans.

CAS Number95851-37-9
PubChem CID122159
IUPAC Name(2S,3R,3aS)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Molecular FormulaC21H24O5
Molecular Weight356.4
XLogP3.2
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity622
SMILES
C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@]12OC)CC=C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H24O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h6,8-13,20H,1,7H2,2-5H3/t13-,20+,21+/m1/s1
InChIKey
VDYACOATPFOZIO-UBWHGVKJSA-N
Chemical Structure
2D Structure
2D structure of Kadsurenone
CAS: 95851-37-9
CID: 122159
Formula: C21H24O5
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass356.16237386
Monoisotopic Mass356.16237386
Topological Polar Surface Area54 Ų
Heavy Atom Count26
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19218358Kadsurenin A
GTR19209528-01Kadsurenin L
GTR19233630Kadsurenin C
GTR19230108Kadsurenin B
GTR19181226Kadsurenin D

Alternative Products

CatalogName
HY-N10663-01Kadsurenone
TRC-K091002-50MGKadsurenone-d6
HY-N10663A(±) -7-epi-Kadsurenone
MBS5825239(+/-)-7-epi-Kadsurenone

Popular Products